CID 643277

3,5-dichloro-2,6-difluoropyridine

Structural Information

Molecular Formula
C5HCl2F2N
SMILES
C1=C(C(=NC(=C1Cl)F)F)Cl
InChI
InChI=1S/C5HCl2F2N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
AYTUSKIZXVPKBR-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,6-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

182.9454 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.95268 123.2
[M+Na]+ 205.93462 136.2
[M-H]- 181.93812 123.1
[M+NH4]+ 200.97922 143.7
[M+K]+ 221.90856 131.0
[M+H-H2O]+ 165.94266 117.5
[M+HCOO]- 227.94360 135.9
[M+CH3COO]- 241.95925 179.5
[M+Na-2H]- 203.92007 129.4
[M]+ 182.94485 123.9
[M]- 182.94595 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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